CID 640454

1-(difluoromethyl)-4-methoxybenzene

Structural Information

Molecular Formula
C8H8F2O
SMILES
COC1=CC=C(C=C1)C(F)F
InChI
InChI=1S/C8H8F2O/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,8H,1H3
InChIKey
YNZBAHINXSRPNN-UHFFFAOYSA-N
Compound name
1-(difluoromethyl)-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

72
Patents

158.05432 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.061596 127.4
[M+Na]+ 181.043538 136.0
[M-H]- 157.047044 128.8
[M+NH4]+ 176.088143 148.4
[M+K]+ 197.017478 134.5
[M+H-H2O]+ 141.051580 120.3
[M+HCOO]- 203.052521 149.4
[M+CH3COO]- 217.068171 177.8
[M+Na-2H]- 179.028986 133.1
[M]+ 158.05377142 125.8
[M]- 158.05486858 125.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe